6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide

C26H31N5O2 — CID 11525127

IUPAC6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C26H31N5O2/c1-4-31(5-2)15-14-28-25(32)21-16-18(3)24(29-17-21)19-10-12-20(13-11-19)26(33)30-23-9-7-6-8-22(23)27/h6-13,16-17H,4-5,14-15,27H2,1-3H3,(H,28,32)(H,30,33)
InChIKeySMULYLGSGOPBNQ-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.96
Rot. Bonds9

About 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide

6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide (PubChem CID 11525127) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
PubChem CID11525127
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C26H31N5O2/c1-4-31(5-2)15-14-28-25(32)21-16-18(3)24(29-17-21)19-10-12-20(13-11-19)26(33)30-23-9-7-6-8-22(23)27/h6-13,16-17H,4-5,14-15,27H2,1-3H3,(H,28,32)(H,30,33)
InChIKeySMULYLGSGOPBNQ-UHFFFAOYSA-N
XLogP3.96
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11718037
N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
CID 11632795
1-N-(2-aminophenyl)-4-N-[2-(diethylamino)ethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 25051606
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
1-(4-aminophenyl)-N-[2-(diethylamino)ethyl]isoquinoline-4-carboxamide
CID 54413039
5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
CID 10475062
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
CID 11538465

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide (CID 11525127) is 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide is CCN(CC)CCNC(=O)c1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1.
What is the InChIKey of 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is SMULYLGSGOPBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-4-31(5-2)15-14-28-25(32)21-16-18(3)24(29-17-21)19-10-12-20(13-11-19)26(33)30-23-9-7-6-8-22(23)27/h6-13,16-17H,4-5,14-15,27H2,1-3H3,(H,28,32)(H,30,33).
What are the key properties of 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide?
6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 11525127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).